==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-99 1CNM . COMPND 2 MOLECULE: PROTEIN (PROTEINASE K); . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR M.N.GUPTA,R.TYAGI,S.SHARMA,S.KARTHIKEYAN,T.P.SINGH . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 33 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.5 56.5 58.9 10.2 2 2 A A E -A 24 0A 59 22,-0.2 2,-0.7 25,-0.0 22,-0.2 -0.999 360.0-154.4-140.0 137.5 58.6 60.4 13.0 3 3 A Q E > -A 23 0A 29 20,-2.5 20,-2.9 -2,-0.4 3,-0.7 -0.948 24.5-146.4-114.3 109.4 57.6 61.8 16.4 4 4 A T T 3 S+ 0 0 103 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.495 77.6 9.6 -77.0 142.9 60.3 64.3 17.4 5 5 A N T 3 S+ 0 0 136 -2,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.898 90.3 173.4 50.6 46.2 61.2 64.6 21.1 6 6 A A < - 0 0 8 15,-2.7 -1,-0.1 -3,-0.7 76,-0.1 -0.385 44.7 -80.5 -75.8 161.2 59.1 61.6 22.0 7 7 A P >> - 0 0 24 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.322 51.0-108.4 -56.4 142.3 59.0 60.0 25.5 8 8 A W H 3> S+ 0 0 50 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.837 116.8 57.2 -45.7 -44.4 62.2 57.8 25.8 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.835 107.5 47.9 -58.5 -37.1 60.2 54.5 25.7 10 10 A L H <> S+ 0 0 2 -3,-1.3 4,-0.8 2,-0.2 14,-0.2 0.923 113.9 46.0 -70.9 -47.6 58.7 55.4 22.3 11 11 A A H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.922 111.2 54.7 -60.1 -41.6 62.1 56.4 20.8 12 12 A R H >< S+ 0 0 5 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.2 0.896 101.9 56.3 -58.1 -45.4 63.6 53.2 22.3 13 13 A I H 3< S+ 0 0 0 -4,-1.6 262,-3.0 1,-0.3 263,-0.4 0.654 112.0 41.7 -63.3 -22.1 61.1 50.9 20.6 14 14 A S T << S+ 0 0 9 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.037 108.5 78.9-114.5 20.3 62.0 52.2 17.1 15 15 A S < - 0 0 14 -3,-1.4 242,-0.1 1,-0.1 261,-0.1 -0.963 64.0-150.9-133.7 151.6 65.7 52.3 17.8 16 16 A T S S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.667 89.5 44.9 -90.1 -19.9 68.5 49.8 17.9 17 17 A S S > S- 0 0 53 1,-0.0 3,-0.5 240,-0.0 -1,-0.1 -0.935 85.1-115.7-130.1 149.7 70.3 51.8 20.5 18 18 A P T 3 S+ 0 0 53 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.154 88.5 53.7 -71.5 172.3 69.3 53.6 23.7 19 19 A G T 3 S+ 0 0 82 166,-0.4 2,-0.1 1,-0.2 167,-0.0 0.460 72.6 123.3 80.8 1.2 69.5 57.4 23.9 20 20 A T < - 0 0 55 -3,-0.5 -1,-0.2 -12,-0.1 -8,-0.1 -0.498 43.0-161.6 -88.9 165.3 67.6 58.5 20.8 21 21 A S + 0 0 58 -2,-0.1 -15,-2.7 -10,-0.1 2,-0.4 0.353 58.6 89.4-130.9 8.5 64.5 60.8 21.1 22 22 A T - 0 0 25 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.900 62.5-145.9-108.7 137.3 62.6 60.4 17.9 23 23 A Y E -A 3 0A 0 -20,-2.9 -20,-2.5 -2,-0.4 2,-0.5 -0.896 15.9-164.0-100.2 115.0 59.9 57.8 17.6 24 24 A Y E +A 2 0A 108 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.898 22.0 152.7-103.4 127.4 59.8 56.4 14.0 25 25 A Y - 0 0 36 -24,-1.7 2,-0.3 -2,-0.5 60,-0.0 -0.953 49.2 -90.8-149.6 161.3 56.7 54.5 13.0 26 26 A D > - 0 0 46 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.606 37.4-126.6 -74.7 134.1 54.5 53.5 10.1 27 27 A E T 3 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.724 103.5 76.3 -56.7 -24.2 51.7 56.1 9.5 28 28 A S T > S- 0 0 23 1,-0.1 3,-2.0 2,-0.1 -1,-0.3 0.880 77.4-175.3 -53.9 -38.5 49.1 53.3 9.6 29 29 A A T < - 0 0 0 -3,-1.9 58,-2.8 1,-0.3 59,-0.4 0.784 62.7 -53.9 46.2 43.9 49.7 53.4 13.4 30 30 A G T > S+ 0 0 0 206,-0.4 3,-1.6 1,-0.2 59,-0.3 0.596 85.1 159.4 74.9 12.5 47.5 50.6 14.4 31 31 A Q T < + 0 0 99 -3,-2.0 -1,-0.2 1,-0.2 57,-0.2 -0.361 64.9 31.9 -71.6 145.7 44.2 51.7 12.8 32 32 A G T 3 S+ 0 0 32 55,-0.4 93,-2.1 1,-0.4 94,-0.6 0.139 103.1 95.5 97.3 -22.7 41.8 48.9 12.2 33 33 A S E < -b 126 0B 1 -3,-1.6 56,-1.8 92,-0.3 2,-0.4 -0.557 63.0-142.1 -98.7 164.7 43.0 47.0 15.4 34 34 A a E -bc 127 89B 3 92,-2.7 94,-2.7 -2,-0.2 2,-0.5 -0.985 7.0-161.5-130.8 139.4 41.5 47.2 18.8 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.0 -2,-0.4 2,-0.5 -0.976 6.7-155.2-123.9 120.9 43.1 47.2 22.3 36 36 A Y E -bc 129 91B 0 92,-3.0 94,-3.2 -2,-0.5 2,-0.7 -0.820 7.7-156.8 -91.8 124.8 41.2 46.3 25.4 37 37 A V E -bc 130 92B 2 54,-2.5 56,-2.4 -2,-0.5 2,-0.9 -0.927 4.3-162.9-105.1 111.1 42.7 47.9 28.5 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.3 -2,-0.7 56,-0.2 -0.846 51.0 85.4 -99.6 97.0 41.7 45.8 31.6 39 39 A D E S- c 0 94B 1 54,-1.7 57,-2.9 -2,-0.9 56,-1.7 -0.475 95.4 -32.5-155.5-134.6 42.4 48.0 34.5 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 55,-0.2 27,-0.2 0.421 98.1 -91.1 -89.3 1.0 40.9 50.9 36.7 41 41 A G - 0 0 1 52,-0.3 -1,-0.4 24,-0.2 2,-0.3 -0.620 41.1 -94.9 112.8-176.0 39.0 52.3 33.7 42 42 A I - 0 0 3 21,-0.5 2,-1.7 -2,-0.2 23,-0.2 -0.993 18.7-126.9-138.3 139.0 40.1 55.0 31.1 43 43 A E > - 0 0 42 -2,-0.3 3,-2.2 1,-0.2 6,-0.2 -0.659 33.6-177.3 -86.0 84.4 39.3 58.7 31.1 44 44 A A T 3 S+ 0 0 32 -2,-1.7 7,-0.5 1,-0.3 9,-0.4 0.746 73.1 63.6 -55.6 -26.0 37.9 58.5 27.5 45 45 A S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.566 71.7 120.8 -77.6 -12.1 37.3 62.3 27.4 46 46 A H X - 0 0 8 -3,-2.2 3,-2.2 1,-0.1 4,-0.4 -0.362 68.4-133.1 -58.9 126.7 41.0 63.0 27.6 47 47 A P G > S+ 0 0 95 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.716 101.1 70.7 -54.8 -24.5 42.0 65.0 24.5 48 48 A E G 3 S+ 0 0 21 1,-0.2 32,-2.8 2,-0.1 33,-0.1 0.713 96.0 54.8 -67.5 -19.4 45.0 62.7 23.9 49 49 A F G X S- 0 0 0 -3,-2.2 3,-2.6 30,-0.2 -1,-0.2 0.610 92.7-149.9 -87.4 -17.5 42.6 60.0 23.0 50 50 A E T < - 0 0 99 -3,-1.0 -2,-0.1 -4,-0.4 -5,-0.1 0.730 67.3 -56.5 53.4 30.0 40.9 62.0 20.3 51 51 A G T 3 S+ 0 0 70 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.543 116.3 112.1 80.8 6.6 37.5 60.3 20.8 52 52 A R < + 0 0 36 -3,-2.6 38,-2.7 26,-0.1 2,-0.4 0.369 59.8 77.9 -91.2 0.3 39.2 56.9 20.1 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.916 55.1 173.2-112.2 141.9 38.7 55.6 23.6 54 54 A Q E -d 91 0B 84 36,-1.9 38,-2.7 -2,-0.4 2,-0.3 -0.990 32.5-123.4-150.2 142.5 35.5 54.2 25.2 55 55 A M E +d 92 0B 40 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.601 31.1 170.8 -78.5 137.9 34.4 52.6 28.4 56 56 A V E + 0 0 28 36,-2.8 2,-0.3 1,-0.4 37,-0.2 0.558 60.6 7.7-124.7 -19.3 32.7 49.2 27.6 57 57 A K E -d 93 0B 75 35,-1.4 37,-3.6 6,-0.1 -1,-0.4 -0.942 52.6-172.4-167.5 140.0 32.3 47.6 31.0 58 58 A T E -d 94 0B 37 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.971 14.9-161.5-131.0 154.7 32.7 48.3 34.7 59 59 A Y S S+ 0 0 71 35,-1.8 2,-0.2 -2,-0.3 36,-0.1 0.200 76.9 61.4-114.8 5.7 32.4 45.9 37.7 60 60 A Y S S- 0 0 59 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.551 105.7 -78.0-118.9-174.1 31.9 48.8 40.1 61 61 A Y S S+ 0 0 236 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.770 112.9 19.8 -59.9 -32.2 29.4 51.6 40.8 62 62 A S - 0 0 42 2,-0.2 -2,-0.3 32,-0.0 -3,-0.2 -0.917 66.2-135.2-136.8 162.4 30.8 53.8 38.0 63 63 A S + 0 0 47 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.377 68.3 113.6-100.3 2.4 32.9 53.3 34.9 64 64 A R S S- 0 0 109 -23,-0.1 2,-1.0 1,-0.1 -2,-0.2 -0.366 74.2-116.4 -78.8 150.8 35.2 56.3 35.4 65 65 A D + 0 0 8 -23,-0.2 -24,-0.2 1,-0.2 -1,-0.1 -0.741 38.5 168.2 -82.0 101.4 38.8 56.0 36.2 66 66 A G S S+ 0 0 38 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.327 75.4 49.6 -97.2 6.5 39.1 57.5 39.7 67 67 A N S S- 0 0 44 -27,-0.2 146,-0.1 30,-0.1 31,-0.1 0.794 89.9-137.9-107.0 -57.3 42.7 56.2 40.1 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.3 -27,-0.1 5,-0.2 0.008 75.5 101.5 117.0 -27.2 44.6 57.2 36.9 69 69 A H H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.918 84.3 45.2 -54.4 -52.0 46.5 53.9 36.4 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.873 112.2 51.5 -61.3 -40.4 44.3 52.6 33.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.3 0.893 110.2 51.5 -63.4 -38.7 44.3 56.0 31.8 72 72 A H H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 139,-0.4 0.972 112.4 44.2 -61.7 -53.5 48.1 55.9 32.1 73 73 A C H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.914 111.9 52.6 -59.2 -45.2 48.3 52.4 30.5 74 74 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.900 105.6 56.2 -59.7 -39.8 45.8 53.3 27.8 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.891 105.8 49.6 -59.5 -40.5 47.9 56.4 26.9 76 76 A T H < S+ 0 0 0 -4,-1.6 8,-2.5 2,-0.2 9,-0.2 0.845 111.9 50.5 -67.3 -33.5 51.0 54.3 26.3 77 77 A V H < S- 0 0 0 -4,-1.7 8,-2.8 6,-0.2 7,-0.2 0.991 138.7 -19.6 -68.7 -57.6 49.0 52.0 24.1 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.202 80.9 132.6-150.3 34.7 47.4 54.6 21.9 79 79 A S X - 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -30,-0.2 -0.358 63.8-111.7 -76.3 160.9 47.2 58.3 23.0 80 80 A R T 4 S+ 0 0 113 -32,-2.8 6,-0.1 1,-0.2 -1,-0.1 0.968 109.1 23.0 -58.2 -53.6 48.3 60.7 20.3 81 81 A T T 4 S+ 0 0 37 1,-0.2 -1,-0.2 -33,-0.1 -5,-0.0 0.817 134.0 31.8 -87.2 -33.5 51.5 61.9 22.0 82 82 A Y T 4 S+ 0 0 37 -7,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.317 97.6 107.0-107.9 5.7 52.4 59.1 24.4 83 83 A G < - 0 0 0 -4,-1.2 3,-0.3 1,-0.1 -6,-0.2 -0.639 55.8-153.6 -99.4 149.1 51.1 56.2 22.4 84 84 A V S S+ 0 0 0 -8,-2.5 2,-0.8 -2,-0.3 -6,-0.2 0.939 99.1 35.7 -73.4 -50.6 52.7 53.4 20.5 85 85 A A S > S- 0 0 0 -8,-2.8 3,-1.4 -9,-0.2 -1,-0.3 -0.819 75.1-175.3-111.8 88.5 49.7 52.7 18.1 86 86 A K T 3 S+ 0 0 13 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.530 77.2 41.5 -63.0 -18.1 48.4 56.2 17.6 87 87 A K T 3 S+ 0 0 97 -58,-2.8 -55,-0.4 -59,-0.1 -1,-0.3 0.179 86.4 121.3-118.1 13.6 45.3 55.3 15.6 88 88 A T < - 0 0 1 -3,-1.4 2,-0.5 -59,-0.4 -54,-0.2 -0.265 65.3-113.7 -74.7 162.4 44.1 52.3 17.4 89 89 A Q E -c 34 0B 61 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.4 -0.804 30.0-153.7 -95.7 128.3 40.7 51.9 19.1 90 90 A L E -cd 35 53B 0 -38,-2.7 -36,-1.9 -2,-0.5 2,-0.4 -0.899 10.8-173.0-110.6 133.8 40.8 51.7 22.9 91 91 A F E -cd 36 54B 8 -56,-2.0 -54,-2.5 -2,-0.4 2,-0.4 -0.993 15.1-142.2-125.8 126.2 38.1 50.0 25.0 92 92 A G E -cd 37 55B 0 -38,-2.7 -36,-2.8 -2,-0.4 -35,-1.4 -0.749 14.5-174.7 -98.3 134.2 38.1 50.1 28.8 93 93 A V E -cd 38 57B 0 -56,-2.4 -54,-1.7 -2,-0.4 2,-1.2 -0.978 18.1-149.1-119.1 107.6 37.1 47.2 31.0 94 94 A K E +cd 39 58B 0 -37,-3.6 -35,-1.8 -2,-0.5 -54,-0.2 -0.681 42.2 141.7 -87.6 100.1 37.1 48.4 34.7 95 95 A V + 0 0 0 -56,-1.7 2,-0.4 -2,-1.2 8,-0.2 0.510 58.8 69.4-108.3 -11.3 38.0 45.4 36.8 96 96 A L S S- 0 0 12 -57,-2.9 6,-0.2 -3,-0.2 -37,-0.1 -0.839 79.2-128.7-110.1 148.2 40.1 47.4 39.3 97 97 A D > - 0 0 41 4,-3.6 3,-1.6 -2,-0.4 -2,-0.1 -0.125 38.6 -87.4 -81.6-173.9 38.7 49.8 41.8 98 98 A D T 3 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.568 129.3 56.5 -74.2 -3.5 39.8 53.4 42.4 99 99 A N T 3 S- 0 0 141 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.367 121.9-109.4-101.6 -2.4 42.4 52.3 44.9 100 100 A G S < S+ 0 0 32 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.675 81.7 116.7 81.2 21.7 43.8 50.0 42.1 101 101 A S + 0 0 63 -61,-0.0 -4,-3.6 2,-0.0 -1,-0.3 -0.838 30.6 160.2-120.1 156.2 42.6 46.8 43.7 102 102 A G - 0 0 32 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.954 36.8-100.8-162.7 165.2 40.2 44.1 42.5 103 103 A Q > - 0 0 124 -2,-0.3 4,-2.6 -8,-0.2 3,-0.3 -0.671 28.2-116.7-101.0 157.5 39.4 40.5 43.3 104 104 A Y H > S+ 0 0 74 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.864 114.7 55.0 -52.7 -43.9 40.4 37.5 41.2 105 105 A S H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 111.0 45.2 -62.2 -41.8 36.8 36.6 40.4 106 106 A T H > S+ 0 0 17 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.907 113.5 49.3 -72.4 -36.6 36.1 40.1 39.0 107 107 A I H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.927 112.1 49.1 -64.1 -42.1 39.4 40.1 37.0 108 108 A I H X S+ 0 0 29 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.937 110.0 51.1 -63.1 -43.8 38.5 36.6 35.6 109 109 A A H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.891 107.0 54.5 -60.0 -38.2 35.0 37.9 34.7 110 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.855 108.6 48.5 -63.0 -39.6 36.6 40.9 32.9 111 111 A M H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.892 112.1 47.0 -69.0 -41.8 38.7 38.5 30.8 112 112 A D H X S+ 0 0 68 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.854 109.2 58.0 -66.8 -36.6 35.7 36.3 29.8 113 113 A F H X S+ 0 0 45 -4,-2.2 4,-3.2 -5,-0.2 3,-0.4 0.959 106.9 45.5 -56.4 -55.3 33.9 39.5 29.1 114 114 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.875 107.3 57.9 -57.6 -42.1 36.5 40.6 26.5 115 115 A A H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.885 118.0 33.5 -57.7 -38.6 36.6 37.2 24.8 116 116 A S H >< S+ 0 0 76 -4,-1.6 3,-1.3 -3,-0.4 -2,-0.2 0.894 116.0 55.6 -82.0 -46.9 32.9 37.4 24.1 117 117 A D H >< S+ 0 0 9 -4,-3.2 3,-2.2 1,-0.3 -3,-0.2 0.765 90.6 70.9 -59.7 -33.1 32.6 41.2 23.6 118 118 A K G >< S+ 0 0 31 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.780 87.5 69.3 -60.0 -22.8 35.2 41.3 20.8 119 119 A N G < S+ 0 0 116 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.572 97.9 49.0 -70.9 -9.9 32.6 39.5 18.6 120 120 A N G < S+ 0 0 122 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 0.181 100.6 83.6-111.1 9.9 30.3 42.7 18.5 121 121 A R S < S- 0 0 74 -3,-1.2 2,-0.9 -4,-0.1 -87,-0.1 -0.853 78.8-123.9-114.6 153.2 33.1 45.1 17.6 122 122 A N + 0 0 153 -2,-0.3 -90,-0.1 1,-0.1 -3,-0.1 -0.826 47.6 146.9-100.9 102.3 34.6 46.0 14.3 123 123 A a > + 0 0 20 -2,-0.9 3,-1.2 -5,-0.2 -89,-0.2 -0.654 13.8 172.2-135.7 72.6 38.4 45.3 14.6 124 124 A P T 3 S+ 0 0 94 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.821 77.6 47.6 -58.1 -33.9 39.4 44.2 11.1 125 125 A K T 3 S- 0 0 97 -93,-2.1 -92,-0.3 1,-0.3 2,-0.2 0.528 120.8 -83.5 -87.9 -5.8 43.2 44.2 12.0 126 126 A G E < -b 33 0B 16 -3,-1.2 -92,-2.7 -94,-0.6 2,-0.4 -0.564 35.0 -90.7 126.9 165.6 42.9 42.3 15.2 127 127 A V E -b 34 0B 13 25,-0.5 27,-2.7 -94,-0.2 2,-0.3 -0.965 29.0-174.1-124.2 132.1 42.3 42.4 18.9 128 128 A V E -be 35 154B 0 -94,-2.7 -92,-3.0 -2,-0.4 2,-0.4 -0.908 9.7-154.9-122.3 149.2 44.8 42.9 21.7 129 129 A A E -be 36 155B 0 25,-2.9 27,-2.5 -2,-0.3 2,-0.5 -0.997 8.1-157.6-129.2 128.8 44.2 42.8 25.5 130 130 A S E -be 37 156B 0 -94,-3.2 -92,-2.3 -2,-0.4 2,-0.5 -0.950 9.7-177.3-114.8 119.6 46.5 44.7 27.9 131 131 A L E + e 0 157B 0 25,-2.5 27,-2.0 -2,-0.5 2,-1.4 -0.779 12.3 172.0-124.2 91.3 46.7 43.6 31.5 132 132 A S + 0 0 2 -2,-0.5 2,-0.3 -94,-0.3 92,-0.1 -0.590 58.3 83.6 -94.2 68.2 48.9 45.6 33.8 133 133 A L + 0 0 19 -2,-1.4 25,-0.4 25,-0.1 2,-0.3 -0.963 45.1 148.2-159.8 164.4 47.9 43.8 37.0 134 134 A G - 0 0 56 -2,-0.3 2,-0.3 37,-0.1 3,-0.1 -0.952 13.0-174.8 172.8 171.7 48.7 40.6 38.8 135 135 A G E -K 170 0C 23 35,-2.1 35,-3.7 -2,-0.3 37,-0.2 -0.870 49.9 -31.8-163.1-166.9 49.0 38.9 42.2 136 136 A G E S-K 169 0C 45 33,-0.3 33,-0.3 -2,-0.3 -1,-0.1 -0.124 88.2 -65.1 -60.0 154.1 50.1 35.6 43.8 137 137 A Y + 0 0 130 31,-2.3 2,-0.3 32,-0.1 -1,-0.2 -0.008 59.4 169.6 -45.3 135.4 49.9 32.5 41.8 138 138 A S > - 0 0 22 -3,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.923 27.3-155.2-150.0 123.7 46.3 31.4 41.0 139 139 A S H > S+ 0 0 76 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.806 97.0 52.7 -75.0 -25.1 45.5 28.6 38.5 140 140 A S H > S+ 0 0 69 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.768 109.0 49.4 -75.6 -31.1 42.1 30.0 37.7 141 141 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 113.4 46.8 -73.4 -44.4 43.5 33.5 36.9 142 142 A N H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 111.8 51.8 -60.4 -41.3 46.1 31.8 34.6 143 143 A S H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.866 106.2 52.3 -65.9 -36.2 43.4 29.7 33.0 144 144 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.905 109.5 51.8 -67.2 -36.4 41.2 32.8 32.3 145 145 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.887 109.4 48.8 -65.5 -38.8 44.3 34.3 30.6 146 146 A A H X S+ 0 0 24 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.893 109.1 52.0 -69.4 -40.1 44.8 31.2 28.5 147 147 A R H X S+ 0 0 103 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 110.5 49.1 -62.2 -44.1 41.1 31.1 27.4 148 148 A L H X>S+ 0 0 0 -4,-2.1 5,-1.2 2,-0.2 4,-0.5 0.969 112.3 48.1 -59.9 -49.7 41.3 34.8 26.3 149 149 A Q H ><5S+ 0 0 26 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.937 113.2 47.6 -57.3 -45.8 44.5 34.1 24.4 150 150 A S H 3<5S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 98.4 68.0 -70.5 -23.2 42.9 31.0 22.7 151 151 A S H 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.625 128.0 -92.5 -68.5 -12.4 39.7 33.0 21.8 152 152 A G T <<5S+ 0 0 37 -3,-1.3 -25,-0.5 -4,-0.5 2,-0.4 0.728 85.3 128.0 106.8 30.0 41.9 35.0 19.3 153 153 A V < - 0 0 0 -5,-1.2 2,-0.8 -4,-0.5 -1,-0.3 -0.932 62.0-124.8-113.1 137.1 43.0 38.0 21.4 154 154 A M E -e 128 0B 1 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.6 -0.771 33.9-158.1 -79.5 113.7 46.7 38.9 21.7 155 155 A V E -e 129 0B 0 -2,-0.8 23,-2.8 -27,-0.2 2,-0.4 -0.838 13.9-177.3 -98.4 123.4 47.1 38.9 25.5 156 156 A A E -ef 130 178B 0 -27,-2.5 -25,-2.5 -2,-0.6 2,-0.3 -0.966 8.1-175.8-116.7 129.2 50.0 40.9 27.1 157 157 A V E -ef 131 179B 0 21,-2.5 23,-2.7 -2,-0.4 -25,-0.2 -0.954 29.0-105.9-129.6 148.5 50.5 40.8 30.9 158 158 A A E - f 0 180B 6 -27,-2.0 14,-0.2 -25,-0.4 23,-0.2 -0.492 19.1-140.3 -70.1 139.7 52.8 42.5 33.4 159 159 A A - 0 0 0 21,-2.7 -1,-0.1 1,-0.2 22,-0.1 0.781 52.2-110.4 -69.0 -27.8 55.7 40.3 34.8 160 160 A G - 0 0 17 20,-0.3 34,-2.4 34,-0.1 3,-0.3 -0.219 12.1-104.9 112.4 156.1 55.2 42.0 38.2 161 161 A N S S+ 0 0 71 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.105 83.5 99.2-111.9 40.8 57.2 44.3 40.4 162 162 A N S S- 0 0 84 2,-0.1 31,-0.2 0, 0.0 -1,-0.2 0.297 86.3-121.8-107.1 8.0 58.7 42.2 43.2 163 163 A N S S+ 0 0 79 29,-2.4 2,-0.2 -3,-0.3 31,-0.2 0.955 79.0 113.3 50.9 47.7 62.2 41.8 41.7 164 164 A A S S- 0 0 27 28,-0.2 31,-2.4 -4,-0.1 2,-0.5 -0.814 81.8 -67.1-139.0 179.4 61.4 38.0 41.9 165 165 A D B > -l 195 0D 45 -2,-0.2 3,-1.3 29,-0.2 31,-0.2 -0.623 41.6-140.3 -73.3 122.3 60.8 35.0 39.6 166 166 A A G > S+ 0 0 0 29,-3.0 3,-1.7 -2,-0.5 7,-0.2 0.591 84.9 91.0 -60.7 -10.2 57.5 35.7 37.8 167 167 A R G 3 S+ 0 0 142 1,-0.3 -1,-0.2 28,-0.3 6,-0.1 0.659 83.4 52.7 -60.9 -20.2 56.5 32.0 38.2 168 168 A N G < S+ 0 0 98 -3,-1.3 -31,-2.3 -31,-0.1 2,-0.4 0.190 99.0 82.0-101.0 12.0 54.7 32.6 41.5 169 169 A Y E <> S-K 136 0C 55 -3,-1.7 4,-2.0 -33,-0.3 -33,-0.3 -0.929 76.6-107.4-121.1 146.2 52.6 35.5 40.2 170 170 A S E 4 S+K 135 0C 0 -35,-3.7 -35,-2.1 -2,-0.4 -31,-0.0 -0.995 91.3 3.6-119.0 151.2 49.4 35.4 38.2 171 171 A P T >4 S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 6,-0.2 -1.000 124.6 72.5 69.4 -33.1 48.3 36.0 35.0 172 172 A A T 34 S+ 0 0 3 1,-0.3 -2,-0.2 -14,-0.2 7,-0.1 0.836 92.6 51.7 -44.4 -46.1 52.3 36.4 34.7 173 173 A S T 3< S+ 0 0 14 -4,-2.0 -1,-0.3 -7,-0.2 -3,-0.1 0.378 78.2 112.7 -76.0 -1.1 53.0 32.7 35.0 174 174 A E X - 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